Information card for entry 7061214

Structure parameters

• Formula: C29 H27 Br N2 O3
• Calculated formula: C29 H27 Br N2 O3
• Title of publication: Three-component [3 + 2] cycloaddition for regio- and diastereoselective synthesis of spirooxindole-pyrrolidines
• Authors of publication: Zhang, Xiaofeng; Liu, Miao; Zhan, Desheng; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3866 - 3870
• a: 10.4594 ± 0.0006 Å
• b: 10.8089 ± 0.0008 Å
• c: 13.2837 ± 0.0007 Å
• α: 101.462 ± 0.005°
• β: 112.148 ± 0.005°
• γ: 105.775 ± 0.006°
• Cell volume: 1259.83 ± 0.17 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No